Vinyl decanoate
Basic information
- CAS
4704-31-8- Standard SMILES
C=COC(=O)CCCCCCCCC- InChIKey
CMDXMIHZUJPRHG-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Vinyl decanoate
- IUPAC
- ethenyl decanoate
- English name
- VINYL DECANOATE
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Vinyl decanoate4704-31-8FF00I399LINSC-32648DTXSID40197009RefChem:194317DTXCID00119500225-185-7ethenyl decanoateDecanoic acid, vinyl esterDecanoic acid, ethenyl esterVinyl n-decanoate
Show more names
VinylDecenoateVinyl DexanoateDecanoic acid vinylCapricacidvinylesterVinyl Decanoate DECANOIC ACID VINYL ESTER
Decanoic Acid Vinyl EsterMFCD00027349n-Capric acid vinyl esterVinyl Decanoate (stabilized with MEHQ)VinylDecanoate(stabilizedwithMEHQ)vinyl caprateUNII-FF00I399LIEINECS 225-185-7
Database identifiers
- CAS
4704-31-8- PubChem CID
- 62140
- DTXSID
DTXSID40197009- UNII
- FF00I399LI
- EC Number
- 225-185-7
- Nikkaji
- J10.947I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 17.88 °C · 17.88°C (estimate)
- Boiling point
- 119 · 119-120 °C10 mm Hg(lit.)
- Density
- 0.886 g/mL · 0.886 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.435(lit.)
- Flash point
- 220 °F · 220 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Soluble in methanol. Not miscible or difficult to mix with water.
- InChI
- 1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3
- InChIKey
- CMDXMIHZUJPRHG-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(=O)OC=C
- CAS DataBase Reference
- 4704 · 4704-31-8(CAS DataBase Reference)
- FDA UNII
- 0 I399LI · FF00I399LI
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- HE0527500
- ridadr
- 3082
- hs_code
- 2915.90.5050
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
Chemistry & industry
Applications
UsesIt is employed as a intermediates for pharmaceutical.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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